Details of the Drug

General Information of Drug (ID: DM5073T)

Drug Name

3-AMINO-AZACYCLOTRIDECAN-2-ONE

Synonyms

3-AMINO-AZACYCLOTRIDECAN-2-ONE; RIN; AC1L9JYK; (3S)-3-aminoazacyclotridecan-2-one; (3S)-3-amino-azacyclotridecan-2-one; DB08476

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

212.33

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H24N2O
IUPAC Name: (3S)-3-amino-azacyclotridecan-2-one
Canonical SMILES: C1CCCCCNC(=O)[C@H](CCCC1)N
InChI: InChI=1S/C12H24N2O/c13-11-9-7-5-3-1-2-4-6-8-10-14-12(11)15/h11H,1-10,13H2,(H,14,15)/t11-/m0/s1
InChIKey: CQZLEYBEPASILI-NSHDSACASA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-8 (MMP-8)	TTGA1IV	MMP8_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.